(−)-Dihydrocarveol - ≥95%(GC), mixture of isomers , CAS No.20549-47-7

CAS: 20549-47-7 Cat. No.: D485592 分子式: C₁₀H₁₈O 分子量: 154.25

GRADE & PURITY ≥95%(GC), mixture of isomers

Synonyms

Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)- | Dihydrocarveol, (-)- | UNII-2683FD21WA | AKOS015913739 | (1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol | (1R,2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanol | DIHYDROCARVEOL [FHFI] | P-MENTH-8-EN-2

Storage

Room temperature

Specifications

同義語

Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)- | Dihydrocarveol, (-)- | UNII-2683FD21WA | AKOS015913739 | (1R,2R,5R)-5-Isopropenyl-2-methylcyclohexanol | (1R,2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanol | DIHYDROCARVEOL [FHFI] | P-MENTH-8-EN-2

仕様と純度

≥95%(GC), mixture of isomers

保管条件

Room temperature

純度

≥95%(GC)

名前と識別子

カノニカル・スマイル

CC1CCC(CC1O)C(=C)C

IUPAC Name

(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol

InChIKey

KRCZYMFUWVJCLI-OPRDCNLKSA-N

INCHI

1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1

異性体SMILES

C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C

WGKドイツ

3

分子量

154.25

Reaxy-Rn

2205768

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205768&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Cyclohexanols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexanol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: Menthane monoterpenoids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 屈折率: n20/D 1.476
• 比旋光度［α］: [α]20/D -20±1°, neat
• 引火点（°F）: 194 °F
• 引火点（°C）: 90 °C
• 分子量: 154.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20549-47-7, the molecular formula is C10H18O, and the molecular weight is 154.25 g/mol. InChIKey KRCZYMFUWVJCLI-OPRDCNLKSA-N.